[3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol

C21H18N2O3S — CID 58896939

IUPAC[3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(CO)c4)ccnc32)cc1
InChIInChI=1S/C21H18N2O3S/c1-15-5-7-18(8-6-15)27(25,26)23-12-10-20-19(9-11-22-21(20)23)17-4-2-3-16(13-17)14-24/h2-13,24H,14H2,1H3
InChIKeyXVAHGAURKGYVSG-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.74
Rot. Bonds4

About [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol

[3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol (PubChem CID 58896939) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol
PubChem CID58896939
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name[3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(CO)c4)ccnc32)cc1
InChIInChI=1S/C21H18N2O3S/c1-15-5-7-18(8-6-15)27(25,26)23-12-10-20-19(9-11-22-21(20)23)17-4-2-3-16(13-17)14-24/h2-13,24H,14H2,1H3
InChIKeyXVAHGAURKGYVSG-UHFFFAOYSA-N
XLogP3.74
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol?
The IUPAC name of [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol (CID 58896939) is [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol?
The canonical SMILES for [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol is Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(CO)c4)ccnc32)cc1.
What is the InChIKey of [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol?
The InChIKey is XVAHGAURKGYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-15-5-7-18(8-6-15)27(25,26)23-12-10-20-19(9-11-22-21(20)23)17-4-2-3-16(13-17)14-24/h2-13,24H,14H2,1H3.
What are the key properties of [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol?
[3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol has a molecular weight of 378.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]methanol is sourced from PubChem (CID 58896939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).